Monomers

3-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-3-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
JZHGRUMIRATHIU-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)C=C
Isomeric SMILES
CC1=CC(=CC=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10
Heavy Atom Count
9
Molecular Weight
118.179
Exact Molecular Weight
118.0783
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.638
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.9437   -0.9665    0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    0.2152    0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9968    0.4418    0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4834    1.7100   -0.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8516    1.9790   -0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655    0.9482   -0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3021   -0.3250   -0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655   -0.5737    0.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2786   -1.4506    0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0202   -1.0885    0.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648   -1.8689    0.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0808    1.0743    0.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1852    2.5275   -0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2502    2.9636   -0.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8407    1.1178   -0.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3714   -1.5823    0.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9431   -1.2937    0.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9490   -1.4073   -0.8473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7603   -2.4208    0.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers